PERFECT STRUCTURE REGIONS IN AMORPHOUS ARGON

Citation
Nn. Medvedev et al., PERFECT STRUCTURE REGIONS IN AMORPHOUS ARGON, Journal of structural chemistry, 35(1), 1994, pp. 47-56
Citations number
13
Categorie Soggetti
Chemistry Inorganic & Nuclear","Chemistry Physical
ISSN journal
00224766
Volume
35
Issue
1
Year of publication
1994
Pages
47 - 56
Database
ISI
SICI code
0022-4766(1994)35:1<47:PSRIAA>2.0.ZU;2-Q
Abstract
The structure of molecular dynamic models of amorphous argon is invest igated by the Voronoi-Delaunay method. It is shown that the majority o f Delaunay simplices (determined by quadruplets of the nearest atoms) are ''perfect,'' i.e., close in their shape either to the ideal tetrah edron or to the ideal quartoctahedron. These two types of structural e lements are positioned in a correlated manner relative to each other, forming regions of a ''perfect'' structure which, however, is not crys talline. The regions themselves are separated by sections of an ''impe rfect'' structure in which the shape of simplicial atomic configuratio ns differs from the mentioned ideal forms.